CAS RN: 50515-91-8
CAS Name: 7-spiro[bicyclo[3.2.0]heptane-6,1'-cyclohexane]one
OPENEYE Name: spiro[bicyclo[3.2.0]heptane-6,1'-cyclohexane]-7-one
IUPAC Name: spiro[bicyclo[3.2.0]heptane-6,1'-cyclohexane]-7-one
SYSTEMATIC NAME: spiro[bicyclo[3.2.0]heptane-6,1'-cyclohexane]-7-one
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: C1CCC2(CC1)C3CCCC3C2=O
Structure:
CAS RN: 50462-84-5
CAS Name: (1-ethylcyclopropyl)benzene
OPENEYE Name: (1-ethylcyclopropyl)benzene
IUPAC Name: (1-ethylcyclopropyl)benzene
SYSTEMATIC NAME: (1-ethylcyclopropyl)benzene
MOLECULAR FORMULA: C11H14
MOLECULAR WEIGHT: 146.22886
SMILES: CCC1(CC1)C2=CC=CC=C2
Structure:
CAS RN: 50436-33-4
CAS Name: 9-thiabicyclo[3.3.1]non-4-ene
OPENEYE Name: 9-thiabicyclo[3.3.1]non-4-ene
IUPAC Name: 9-thiabicyclo[3.3.1]non-4-ene
SYSTEMATIC NAME: 9-thiabicyclo[3.3.1]non-4-ene
MOLECULAR FORMULA: C8H12S
MOLECULAR WEIGHT: 140.24588
SMILES: C1CC2CCC=C(C1)S2
Structure:
CAS RN: 50415-43-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H20
MOLECULAR WEIGHT: 224.3407
SMILES: C1C2C=CC1C3C2C4CC3C5C4C6CC5C=C6
Structure:
CAS RN: 83830-72-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H20
MOLECULAR WEIGHT: 224.3407
SMILES: C1C2C=CC1C3C2C4CC3C5C4C6CC5C=C6
Structure:
CAS RN: 87480-42-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H20
MOLECULAR WEIGHT: 224.3407
SMILES: C1C2C=CC1C3C2C4CC3C5C4C6CC5C=C6
Structure:
CAS RN: 50407-18-6
CAS Name: 2,3-dimethylindazole
OPENEYE Name: 2,3-dimethylindazole
IUPAC Name: 2,3-dimethylindazole
SYSTEMATIC NAME: 2,3-dimethylindazole
MOLECULAR FORMULA: C9H10N2
MOLECULAR WEIGHT: 146.1891
SMILES: CC1=C2C=CC=CC2=NN1C
Structure:
CAS RN: 50356-52-0
CAS Name: 1,3,5-tritert-butylpentalene
OPENEYE Name: 1,3,5-tritert-butylpentalene
IUPAC Name: 1,3,5-tritert-butylpentalene
SYSTEMATIC NAME: 1,3,5-tritert-butylpentalene
MOLECULAR FORMULA: C20H30
MOLECULAR WEIGHT: 270.4522
SMILES: CC(C)(C)C1=CC2=C(C=C(C2=C1)C(C)(C)C)C(C)(C)C
Structure:
CAS RN: 50356-49-5
CAS Name: 4-oxabicyclo[5.1.0]octa-2,5-diene
OPENEYE Name: 4-oxabicyclo[5.1.0]octa-2,5-diene
IUPAC Name: 4-oxabicyclo[5.1.0]octa-2,5-diene
SYSTEMATIC NAME: 4-oxabicyclo[5.1.0]octa-2,5-diene
MOLECULAR FORMULA: C7H8O
MOLECULAR WEIGHT: 108.13782
SMILES: C1C2C1C=COC=C2
Structure:
CAS RN: 50351-47-8
CAS Name: 1-(ethynylthio)-2-methylpropane
OPENEYE Name: 1-ethynylsulfanyl-2-methyl-propane
IUPAC Name: 1-ethynylsulfanyl-2-methylpropane
SYSTEMATIC NAME: 1-ethynylsulfanyl-2-methyl-propane
MOLECULAR FORMULA: C6H10S
MOLECULAR WEIGHT: 114.2086
SMILES: CC(C)CSC#C
Structure:
CAS RN: 50341-35-0
CAS Name: 2,2-dibromobutane
OPENEYE Name: 2,2-dibromobutane
IUPAC Name: 2,2-dibromobutane
SYSTEMATIC NAME: 2,2-bis(bromanyl)butane
MOLECULAR FORMULA: C4H8Br2
MOLECULAR WEIGHT: 215.91432
SMILES: CCC(C)(Br)Br
Structure:
CAS RN: 50311-48-3
CAS Name: nitric acid trifluoromethoxy ester
OPENEYE Name: trifluoromethoxy nitrate
IUPAC Name: trifluoromethoxy nitrate
SYSTEMATIC NAME: trifluoromethyloxy nitrate
MOLECULAR FORMULA: CF3NO4
MOLECULAR WEIGHT: 147.01021
SMILES: C(OO[N+](=O)[O-])(F)(F)F
Structure:
CAS RN: 50296-60-1
CAS Name: 4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
OPENEYE Name: 4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
IUPAC Name: 4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
SYSTEMATIC NAME: 4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C9H11NO4
MOLECULAR WEIGHT: 197.18794
SMILES: CC1=C(NC(=C1C(=O)OC)C)C(=O)O
Structure:
CAS RN: 50262-77-6
CAS Name: 4-[(4-hexoxyphenyl)methylideneamino]phenol
OPENEYE Name: 4-[(4-hexoxyphenyl)methyleneamino]phenol
IUPAC Name: 4-[(4-hexoxyphenyl)methylideneamino]phenol
SYSTEMATIC NAME: 4-[(4-hexoxyphenyl)methylideneamino]phenol
MOLECULAR FORMULA: C19H23NO2
MOLECULAR WEIGHT: 297.39142
SMILES: CCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)O
Structure:
CAS RN: 50262-67-4
CAS Name: 4-nonoxyaniline
OPENEYE Name: 4-nonoxyaniline
IUPAC Name: 4-nonoxyaniline
SYSTEMATIC NAME: 4-nonoxyaniline
MOLECULAR FORMULA: C15H25NO
MOLECULAR WEIGHT: 235.3651
SMILES: CCCCCCCCCOC1=CC=C(C=C1)N
Structure:
CAS RN: 50262-46-9
CAS Name: 4-nonoxybenzaldehyde
OPENEYE Name: 4-nonoxybenzaldehyde
IUPAC Name: 4-nonoxybenzaldehyde
SYSTEMATIC NAME: 4-nonoxybenzaldehyde
MOLECULAR FORMULA: C16H24O2
MOLECULAR WEIGHT: 248.36056
SMILES: CCCCCCCCCOC1=CC=C(C=C1)C=O
Structure:
CAS RN: 49841-53-4
CAS Name: 2-chloro-1,4-di(propan-2-yl)benzene
OPENEYE Name: 2-chloro-1,4-diisopropyl-benzene
IUPAC Name: 2-chloro-1,4-di(propan-2-yl)benzene
SYSTEMATIC NAME: 2-chloranyl-1,4-di(propan-2-yl)benzene
MOLECULAR FORMULA: C12H17Cl
MOLECULAR WEIGHT: 196.71638
SMILES: CC(C)C1=CC(=C(C=C1)C(C)C)Cl
Structure:
CAS RN: 49840-69-9
CAS Name: 1,2,3,5,6,7,8,9-octahydropyrazolo[1,2-a]diazepine
OPENEYE Name: 1,2,3,5,6,7,8,9-octahydropyrazolo[1,2-a]diazepine
IUPAC Name: 1,2,3,5,6,7,8,9-octahydropyrazolo[1,2-a]diazepine
SYSTEMATIC NAME: 1,2,3,5,6,7,8,9-octahydropyrazolo[1,2-a][1,2]diazepine
MOLECULAR FORMULA: C8H16N2
MOLECULAR WEIGHT: 140.22604
SMILES: C1CCN2CCCN2CC1
Structure:
CAS RN: 49840-68-8
CAS Name: 1,2-dimethyldiazepane
OPENEYE Name: 1,2-dimethyldiazepane
IUPAC Name: 1,2-dimethyldiazepane
SYSTEMATIC NAME: 1,2-dimethyl-1,2-diazepane
MOLECULAR FORMULA: C7H16N2
MOLECULAR WEIGHT: 128.21534
SMILES: CN1CCCCCN1C
Structure:
CAS RN: 49840-66-6
CAS Name: 1-(1-pyrrolidinyl)piperidine
OPENEYE Name: 1-pyrrolidin-1-ylpiperidine
IUPAC Name: 1-pyrrolidin-1-ylpiperidine
SYSTEMATIC NAME: 1-pyrrolidin-1-ylpiperidine
MOLECULAR FORMULA: C9H18N2
MOLECULAR WEIGHT: 154.25262
SMILES: C1CCN(CC1)N2CCCC2
Structure:
CAS RN: 49840-64-4
CAS Name: 1-methyl-1,2,2-tri(propan-2-yl)hydrazine
OPENEYE Name: 1,1,2-triisopropyl-2-methyl-hydrazine
IUPAC Name: 1-methyl-1,2,2-tri(propan-2-yl)hydrazine
SYSTEMATIC NAME: 1-methyl-1,2,2-tri(propan-2-yl)diazane
MOLECULAR FORMULA: C10H24N2
MOLECULAR WEIGHT: 172.31096
SMILES: CC(C)N(C)N(C(C)C)C(C)C
Structure:
CAS RN: 49840-63-3
CAS Name: 1,1,2-trimethyl-2-propan-2-ylhydrazine
OPENEYE Name: 1-isopropyl-1,2,2-trimethyl-hydrazine
IUPAC Name: 1,1,2-trimethyl-2-propan-2-ylhydrazine
SYSTEMATIC NAME: 1,1,2-trimethyl-2-propan-2-yl-diazane
MOLECULAR FORMULA: C6H16N2
MOLECULAR WEIGHT: 116.20464
SMILES: CC(C)N(C)N(C)C
Structure:
CAS RN: 49840-60-0
CAS Name: N,N-dimethyl-1-piperidinamine
OPENEYE Name: N,N-dimethylpiperidin-1-amine
IUPAC Name: N,N-dimethylpiperidin-1-amine
SYSTEMATIC NAME: N,N-dimethylpiperidin-1-amine
MOLECULAR FORMULA: C7H16N2
MOLECULAR WEIGHT: 128.21534
SMILES: CN(C)N1CCCCC1
Structure:
CAS RN: 49833-45-6
CAS Name: 1-tert-butylsulfinyl-4-methylbenzene
OPENEYE Name: 1-tert-butylsulfinyl-4-methyl-benzene
IUPAC Name: 1-tert-butylsulfinyl-4-methylbenzene
SYSTEMATIC NAME: 1-tert-butylsulfinyl-4-methyl-benzene
MOLECULAR FORMULA: C11H16OS
MOLECULAR WEIGHT: 196.30914
SMILES: CC1=CC=C(C=C1)S(=O)C(C)(C)C
Structure:
CAS RN: 49833-12-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H6OS2
MOLECULAR WEIGHT: 206.28404
SMILES: C1=CC2=C3C(=C1)SS(=O)C3=CC=C2
Structure:
CAS RN: 49784-84-1
CAS Name: $l^{2}-azanylmethane
OPENEYE Name: $l^{2}-azanylmethane
IUPAC Name: $l^{2}-azanylmethane
SYSTEMATIC NAME: $l^{2}-azanylmethane
MOLECULAR FORMULA: CH4N
MOLECULAR WEIGHT: 30.04916
SMILES: C[NH]
Structure:
CAS RN: 49764-17-2
CAS Name: 1-(4-methoxyphenoxy)adamantane
OPENEYE Name: 1-(4-methoxyphenoxy)adamantane
IUPAC Name: 1-(4-methoxyphenoxy)adamantane
SYSTEMATIC NAME: 1-(4-methoxyphenoxy)adamantane
MOLECULAR FORMULA: C17H22O2
MOLECULAR WEIGHT: 258.35538
SMILES: COC1=CC=C(C=C1)OC23CC4CC(C2)CC(C4)C3
Structure:
CAS RN: 49681-67-6
CAS Name: 4-methyldioxy-4-oxobutanoic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-methylperoxy-4-oxo-butanoate
IUPAC Name: tert-butyl 4-methylperoxy-4-oxobutanoate
SYSTEMATIC NAME: tert-butyl 4-methylperoxy-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C9H16O5
MOLECULAR WEIGHT: 204.22034
SMILES: CC(C)(C)OC(=O)CCC(=O)OOC
Structure:
CAS RN: 49675-88-9
CAS Name: 4,5-dimethyl-1,3-dithiol-2-one
OPENEYE Name: 4,5-dimethyl-1,3-dithiol-2-one
IUPAC Name: 4,5-dimethyl-1,3-dithiol-2-one
SYSTEMATIC NAME: 4,5-dimethyl-1,3-dithiol-2-one
MOLECULAR FORMULA: C5H6OS2
MOLECULAR WEIGHT: 146.23054
SMILES: CC1=C(SC(=O)S1)C
Structure:
CAS RN: 49637-59-4
CAS Name: bis(2-methylheptoxy)phosphorylbenzene
OPENEYE Name: bis(2-methylheptoxy)phosphorylbenzene
IUPAC Name: bis(2-methylheptoxy)phosphorylbenzene
SYSTEMATIC NAME: bis(2-methylheptoxy)phosphorylbenzene
MOLECULAR FORMULA: C22H39O3P
MOLECULAR WEIGHT: 382.517021
SMILES: CCCCCC(C)COP(=O)(C1=CC=CC=C1)OCC(C)CCCCC
Structure:
CAS RN: 49628-52-6
CAS Name: 2-bromo-4-methylpentanoic acid
OPENEYE Name: 2-bromo-4-methyl-pentanoic acid
IUPAC Name: 2-bromo-4-methylpentanoic acid
SYSTEMATIC NAME: 2-bromanyl-4-methyl-pentanoic acid
MOLECULAR FORMULA: C6H11BrO2
MOLECULAR WEIGHT: 195.05434
SMILES: CC(C)CC(C(=O)O)Br
Structure:
CAS RN: 49622-63-1
CAS Name: 3-methylisophosphinoline
OPENEYE Name: 3-methylisophosphinoline
IUPAC Name: 3-methylisophosphinoline
SYSTEMATIC NAME: 3-methylisophosphinoline
MOLECULAR FORMULA: C10H9P
MOLECULAR WEIGHT: 160.152221
SMILES: CC1=CC2=CC=CC=C2C=P1
Structure:
CAS RN: 49616-12-8
CAS Name: 1-ethoxy-N,N-dimethyl-3-cyclopenta[c]pyrrolamine
OPENEYE Name: 1-ethoxy-N,N-dimethyl-cyclopenta[c]pyrrol-3-amine
IUPAC Name: 1-ethoxy-N,N-dimethylcyclopenta[c]pyrrol-3-amine
SYSTEMATIC NAME: 1-ethoxy-N,N-dimethyl-cyclopenta[c]pyrrol-3-amine
MOLECULAR FORMULA: C11H14N2O
MOLECULAR WEIGHT: 190.24166
SMILES: CCOC1=C2C=CC=C2C(=N1)N(C)C
Structure:
CAS RN: 49570-30-1
CAS Name: 1,4-dimethyl-2,3-diazabicyclo[2.2.2]oct-2-ene
OPENEYE Name: 1,4-dimethyl-2,3-diazabicyclo[2.2.2]oct-2-ene
IUPAC Name: 1,4-dimethyl-2,3-diazabicyclo[2.2.2]oct-2-ene
SYSTEMATIC NAME: 1,4-dimethyl-2,3-diazabicyclo[2.2.2]oct-2-ene
MOLECULAR FORMULA: C8H14N2
MOLECULAR WEIGHT: 138.21016
SMILES: CC12CCC(CC1)(N=N2)C
Structure:
CAS RN: 49562-76-7
CAS Name: 1-nitro-4-octoxybenzene
OPENEYE Name: 1-nitro-4-octoxy-benzene
IUPAC Name: 1-nitro-4-octoxybenzene
SYSTEMATIC NAME: 1-nitro-4-octoxy-benzene
MOLECULAR FORMULA: C14H21NO3
MOLECULAR WEIGHT: 251.32144
SMILES: CCCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 49561-96-8
CAS Name: 2-[4-(trifluoromethoxy)phenyl]acetonitrile
OPENEYE Name: 2-[4-(trifluoromethoxy)phenyl]acetonitrile
IUPAC Name: 2-[4-(trifluoromethoxy)phenyl]acetonitrile
SYSTEMATIC NAME: 2-[4-(trifluoromethyloxy)phenyl]ethanenitrile
MOLECULAR FORMULA: C9H6F3NO
MOLECULAR WEIGHT: 201.14525
SMILES: C1=CC(=CC=C1CC#N)OC(F)(F)F
Structure:
CAS RN: 49542-94-1
CAS Name: 1,2-diethylspiro[2.4]hepta-1,4,6-triene
OPENEYE Name: 1,2-diethylspiro[2.4]hepta-1,4,6-triene
IUPAC Name: 1,2-diethylspiro[2.4]hepta-1,4,6-triene
SYSTEMATIC NAME: 1,2-diethylspiro[2.4]hepta-1,4,6-triene
MOLECULAR FORMULA: C11H14
MOLECULAR WEIGHT: 146.22886
SMILES: CCC1=C(C12C=CC=C2)CC
Structure:
CAS RN: 48144-15-6
CAS Name: 1-tert-butyl-4-prop-2-ynoxybenzene
OPENEYE Name: 1-tert-butyl-4-prop-2-ynoxy-benzene
IUPAC Name: 1-tert-butyl-4-prop-2-ynoxybenzene
SYSTEMATIC NAME: 1-tert-butyl-4-prop-2-ynoxy-benzene
MOLECULAR FORMULA: C13H16O
MOLECULAR WEIGHT: 188.26554
SMILES: CC(C)(C)C1=CC=C(C=C1)OCC#C
Structure:
CAS RN: 47189-08-2
CAS Name: 1,4-bis(1,1-diethoxyethyl)benzene
OPENEYE Name: 1,4-bis(1,1-diethoxyethyl)benzene
IUPAC Name: 1,4-bis(1,1-diethoxyethyl)benzene
SYSTEMATIC NAME: 1,4-bis(1,1-diethoxyethyl)benzene
MOLECULAR FORMULA: C18H30O4
MOLECULAR WEIGHT: 310.4284
SMILES: CCOC(C)(C1=CC=C(C=C1)C(C)(OCC)OCC)OCC
Structure:
CAS RN: 47182-04-7
CAS Name: ethylimino(triphenyl)phosphorane
OPENEYE Name: ethylimino(triphenyl)-$l^{5}-phosphane
IUPAC Name: ethylimino(triphenyl)-$l^{5}-phosphane
SYSTEMATIC NAME: ethylimino(triphenyl)-$l^{5}-phosphane
MOLECULAR FORMULA: C20H20NP
MOLECULAR WEIGHT: 305.353261
SMILES: CCN=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
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